2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-
TL;DR: 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- (CAS 65652-29-1) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,9-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-one
Also Known As: 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-, 5,5,9-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-one, 2,5,5-Trimethyl-8a-hydroxydecahydronaphthalene-2-carboxylic acid lactone, Octahydro-3,6,6-trimethyl-2H-3,9a-methano-1-benzoxepin-2-one, 2H-3,9a-Methano-1-benzoxepin-2-one,octahydro-3,6,6-trimethyl
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 65652-29-1 |
|---|---|
| SMILES | CC1(CCCC23C1CCC(C2)(C(=O)O3)C)C |
| InChIKey | VRQWRNHXOFFNPC-UHFFFAOYSA-N |
Product Overview
2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- (CAS 65652-29-1), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 5,5,9-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-one.
Chemical Property Profile of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-
Property Insights of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-
The XLogP value of 3.4 indicates that 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-?
The CAS number of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- is 65652-29-1.
What is the molecular formula of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-?
The molecular formula of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- is C14H22O2.
What is the molecular weight of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-?
The molecular weight of 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- is 222.16 g/mol.
Where can I buy 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-?
You can request a quote for 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,9a-Methano-1-benzoxepin-2-one, octahydro-3,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.